1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-3-(4-methoxyphenoxy)propan-2-ol

Systemtic Name: 1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: 1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-3-(4-methoxyphenoxy)propan-2-ol CAS Name: 1-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: 1-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-3-(4-methoxyphenoxy)propan-2-ol Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)O

InChI

InChI=1S/C21H23N3O3S/c1-26-16-8-10-17(11-9-16)27-12-15(25)13-28-21-23-19-5-3-2-4-18(19)20(24-21)22-14-6-7-14/h2-5,8-11,14-15,25H,6-7,12-13H2,1H3,(H,22,23,24)